==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ASPARTIC PROTEINASE) 04-OCT-91 4PHV . COMPND 2 MOLECULE: HIV-1 PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR R.BONE . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9968.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 35.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 25 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 2 0 0 3 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A P 0 0 85 0, 0.0 198,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 165.3 29.9 39.1 4.9 2 2 A Q E -A 198 0A 134 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.984 360.0-159.0-113.0 119.4 29.9 36.8 2.0 3 3 A I E -A 197 0A 33 194,-3.5 194,-2.2 -2,-0.5 2,-0.1 -0.901 3.7-152.0-110.9 126.2 29.0 33.2 2.9 4 4 A T - 0 0 66 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.436 14.0-136.3 -84.5 159.8 29.8 30.2 0.8 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.112 72.4 109.7-109.5 22.3 27.6 27.1 0.9 6 6 A W S S+ 0 0 169 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.856 94.1 23.5 -62.0 -33.0 30.2 24.3 1.0 7 7 A Q S S- 0 0 135 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.777 111.7 -73.8-123.2 169.1 29.0 23.9 4.6 8 8 A R - 0 0 116 -2,-0.3 2,-1.6 1,-0.1 119,-0.1 -0.387 52.7-114.8 -61.0 141.6 25.7 24.8 6.3 9 9 A P + 0 0 3 0, 0.0 15,-2.7 0, 0.0 2,-0.4 -0.604 48.1 174.7 -86.6 87.4 25.6 28.6 6.8 10 10 A L E +D 23 0B 82 -2,-1.6 2,-0.3 13,-0.2 13,-0.3 -0.803 5.0 177.8 -97.7 133.1 25.6 28.7 10.6 11 11 A V E -D 22 0B 12 11,-3.4 11,-3.4 -2,-0.4 2,-0.4 -0.831 31.6-108.0-130.8 165.9 25.8 32.0 12.5 12 12 A T E -D 21 0B 66 -2,-0.3 55,-1.6 9,-0.2 2,-0.3 -0.807 35.9-170.2 -96.3 132.1 25.8 33.1 16.1 13 13 A I E -DE 20 66B 1 7,-3.3 7,-4.4 -2,-0.4 2,-0.5 -0.842 15.4-145.0-122.1 157.3 22.7 34.8 17.3 14 14 A K E +DE 19 65B 95 51,-1.5 51,-1.7 -2,-0.3 2,-0.4 -0.998 26.4 166.7-127.2 115.9 22.0 36.6 20.5 15 15 A I E > -D 18 0B 1 3,-3.9 3,-2.7 -2,-0.5 49,-0.1 -0.989 69.0 -9.2-140.1 127.0 18.5 36.3 21.8 16 16 A G T 3 S- 0 0 63 47,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.895 128.1 -58.4 53.6 47.0 17.3 37.2 25.3 17 17 A G T 3 S+ 0 0 62 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.351 115.5 125.1 65.8 -9.3 20.9 37.8 26.2 18 18 A Q E < -D 15 0B 98 -3,-2.7 -3,-3.9 1,-0.0 2,-0.5 -0.761 57.2-142.0 -88.5 131.5 21.4 34.1 25.2 19 19 A L E +D 14 0B 127 -2,-0.5 -5,-0.3 -5,-0.3 2,-0.2 -0.792 33.5 168.7 -83.9 121.1 24.1 33.5 22.6 20 20 A K E -D 13 0B 45 -7,-4.4 -7,-3.3 -2,-0.5 2,-0.4 -0.780 34.7-115.3-136.5 174.2 23.1 30.8 20.0 21 21 A E E +D 12 0B 118 -9,-0.3 62,-0.4 -2,-0.2 2,-0.3 -0.927 37.0 170.3-112.2 135.7 23.8 29.1 16.8 22 22 A A E -D 11 0B 0 -11,-3.4 -11,-3.4 -2,-0.4 2,-0.5 -0.987 32.3-117.2-147.2 160.1 21.5 29.2 13.8 23 23 A L E -Df 10 84B 7 60,-2.1 62,-2.7 -2,-0.3 2,-0.8 -0.836 22.2-134.1 -92.9 122.8 21.1 28.4 10.2 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.2 -0.743 36.0-173.5 -77.2 108.6 20.5 31.2 7.6 25 25 A D > + 0 0 15 60,-3.1 3,-1.4 -2,-0.8 62,-0.2 -0.886 26.4 178.1-114.5 101.5 17.6 29.5 5.8 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 61,-0.1 0.683 86.4 61.6 -74.6 -14.5 16.2 31.1 2.6 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.6 96,-0.1 -1,-0.3 0.547 89.6 87.5 -84.1 -10.4 13.9 28.1 2.2 28 28 A A < - 0 0 19 -3,-1.4 59,-2.9 57,-0.2 60,-0.2 -0.809 58.0-166.0 -94.8 122.9 12.3 29.1 5.6 29 29 A D S S+ 0 0 49 -2,-0.6 59,-1.1 57,-0.2 2,-0.2 0.869 76.0 30.3 -69.4 -36.3 9.4 31.6 5.6 30 30 A D S S- 0 0 52 57,-0.2 2,-0.5 56,-0.1 57,-0.1 -0.650 82.8-108.1-119.6 172.4 9.6 32.1 9.3 31 31 A T - 0 0 0 43,-0.4 45,-2.8 -2,-0.2 2,-0.4 -0.894 35.3-179.8-102.7 128.1 12.1 32.0 12.2 32 32 A V E -gH 76 84B 6 52,-1.6 52,-3.6 -2,-0.5 2,-0.3 -1.000 5.2-170.0-133.9 127.9 11.9 29.1 14.6 33 33 A L E -g 77 0B 0 43,-2.9 45,-2.4 -2,-0.4 47,-0.3 -0.802 34.3 -93.3-114.5 156.9 14.1 28.4 17.6 34 34 A E E S-g 78 0B 74 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.310 72.6 -57.5 -63.6 151.0 14.3 25.3 19.8 35 35 A E S S+ 0 0 112 43,-0.7 2,-0.3 45,-0.2 -1,-0.2 -0.048 82.3 134.5 -38.1 117.5 12.1 25.3 22.9 36 36 A M - 0 0 19 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.931 53.8 -96.0-158.6 173.0 12.9 28.4 25.1 37 37 A N - 0 0 137 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.888 32.8-176.6-110.8 124.4 11.0 31.0 27.0 38 38 A L - 0 0 12 -2,-0.5 2,-0.3 2,-0.1 24,-0.0 -0.835 31.8-109.1-114.8 156.7 10.4 34.4 25.5 39 39 A P S S+ 0 0 102 0, 0.0 2,-0.2 0, 0.0 -23,-0.0 -0.649 77.0 39.3 -83.6 143.9 8.7 37.2 27.4 40 40 A G S S- 0 0 63 -2,-0.3 2,-0.3 19,-0.1 -2,-0.1 -0.531 95.4 -47.9 114.9-179.7 5.2 38.1 26.3 41 41 A R - 0 0 232 -2,-0.2 19,-0.4 19,-0.1 2,-0.3 -0.677 54.9-161.4 -88.5 149.2 2.0 36.5 25.2 42 42 A W - 0 0 107 -2,-0.3 17,-0.2 17,-0.1 34,-0.0 -0.864 8.4-143.7-128.2 163.9 2.3 33.9 22.5 43 43 A K E -I 58 0B 116 15,-1.6 15,-4.3 -2,-0.3 2,-0.2 -0.965 24.9-113.3-125.4 142.4 -0.1 32.4 20.0 44 44 A P E +I 57 0B 69 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.503 40.9 172.6 -78.0 145.0 -0.2 28.8 18.9 45 45 A K E -I 56 0B 77 11,-2.1 11,-2.5 -2,-0.2 2,-0.4 -0.962 27.5-135.0-147.9 158.1 0.7 28.1 15.2 46 46 A M E -I 55 0B 106 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.997 20.2-174.4-118.5 124.5 1.3 25.2 13.0 47 47 A I E -I 54 0B 24 7,-2.3 7,-2.6 -2,-0.4 2,-0.3 -0.937 9.7-153.2-119.2 140.3 4.2 25.3 10.5 48 48 A G E +I 53 0B 43 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.856 24.9 146.3-115.5 148.3 4.8 22.5 7.9 49 49 A G E > -I 52 0B 23 3,-2.2 3,-1.9 -2,-0.3 2,-0.3 -0.696 62.5 -31.0-148.0-155.1 8.1 21.4 6.3 50 50 A I T 3 S+ 0 0 22 1,-0.3 101,-1.7 -2,-0.2 102,-1.0 -0.594 133.5 27.5 -72.4 125.9 9.5 18.2 5.0 51 51 A G T 3 S- 0 0 34 -2,-0.3 2,-0.3 128,-0.3 -1,-0.3 0.168 123.6 -86.6 101.7 -13.5 8.1 15.5 7.2 52 52 A G E < -I 49 0B 28 -3,-1.9 -3,-2.2 100,-0.1 99,-0.2 -0.756 66.5 -23.4 115.9-163.9 4.9 17.4 8.0 53 53 A F E -I 48 0B 142 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.614 40.2-165.1 -94.9 151.9 3.7 19.9 10.6 54 54 A I E -I 47 0B 23 -7,-2.6 -7,-2.3 -2,-0.2 2,-0.5 -0.932 22.6-124.0-133.9 151.1 4.9 21.0 14.0 55 55 A K E +I 46 0B 120 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.863 37.8 171.5 -95.7 128.1 3.1 23.1 16.6 56 56 A V E -I 45 0B 2 -11,-2.5 -11,-2.1 -2,-0.5 2,-0.5 -0.831 34.2-114.3-131.0 173.0 5.1 26.1 17.8 57 57 A R E -IJ 44 77B 41 20,-3.1 20,-2.0 -2,-0.3 2,-0.6 -0.926 29.6-141.9-110.6 129.7 4.4 29.1 19.9 58 58 A Q E -IJ 43 76B 29 -15,-4.3 -15,-1.6 -2,-0.5 2,-0.4 -0.860 17.2-175.4 -99.9 123.9 4.4 32.5 18.1 59 59 A Y E - J 0 75B 5 16,-2.8 16,-2.6 -2,-0.6 3,-0.4 -0.954 15.2-144.9-112.2 132.2 5.9 35.6 19.8 60 60 A D E + 0 0 79 -19,-0.4 14,-0.2 -2,-0.4 -19,-0.1 -0.566 69.9 14.5 -96.8 158.3 5.7 39.0 18.0 61 61 A Q E S+ 0 0 165 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.858 75.0 163.2 51.7 49.2 8.2 41.8 18.0 62 62 A I E - J 0 73B 17 11,-2.4 11,-1.7 -3,-0.4 2,-0.4 -0.735 33.8-131.0 -93.2 142.6 11.2 39.9 19.4 63 63 A L E + J 0 72B 85 -2,-0.3 -47,-0.4 9,-0.2 2,-0.3 -0.808 28.4 178.2 -95.0 135.0 14.6 41.5 19.0 64 64 A I E - J 0 71B 0 7,-3.0 7,-3.0 -2,-0.4 2,-0.5 -0.964 21.8-145.2-133.2 151.1 17.4 39.3 17.6 65 65 A E E -EJ 14 70B 38 -51,-1.7 -51,-1.5 -2,-0.3 2,-0.7 -0.981 15.0-168.5-118.4 115.2 21.0 40.2 16.8 66 66 A I E > S-EJ 13 69B 0 3,-3.9 3,-1.9 -2,-0.5 -53,-0.2 -0.924 74.3 -28.8-112.0 105.1 22.4 38.3 13.8 67 67 A C T 3 S- 0 0 60 -55,-1.6 2,-0.2 -2,-0.7 -1,-0.2 0.967 129.1 -43.6 53.1 56.2 26.1 38.6 13.5 68 68 A G T 3 S+ 0 0 55 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.041 116.4 115.1 79.7 -26.5 26.0 42.1 15.1 69 69 A H E < - J 0 66B 76 -3,-1.9 -3,-3.9 -2,-0.2 2,-0.2 -0.645 61.2-138.6 -82.9 126.5 23.0 43.2 13.2 70 70 A K E + J 0 65B 136 -2,-0.5 2,-0.3 -5,-0.3 -5,-0.3 -0.563 27.1 176.3 -80.4 141.5 19.9 43.9 15.3 71 71 A A E - 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